Geometry & MOs

Info

ID:	388373
PubChem CID:	134988957
Reduced:	NOSC15H21 (1)
Stoich.:	ABCD15E21 (1)
Weight, g/mol:	318.04667
ΔH_f, kcal/mol:	-43.28
Dipole, Da:	5.8
IP(EA), eV:	-8.71(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (Z)-2-bromo-3-methylhex-3-enoate

Drug info:

PubChemData

Smile

CC(=C=NC12CC3CC(C1)CC(C3)C2)C(=O)SC

DOS

IR

Vibrations